SpectraBase Compound ID | L2oIf8vaznI |
---|---|
InChI | InChI=1S/C21H30O3/c1-21-10-9-16-15-8-6-14(22-2)11-13(15)5-7-17(16)18(21)12-19(23-3)20(21)24-4/h6,8,11,16-20H,5,7,9-10,12H2,1-4H3/t16-,17-,18+,19-,20-,21+/m1/s1 |
InChIKey | QIOWNWWZXNWWMP-RZTRGMPVSA-N |
Mol Weight | 330.47 g/mol |
Molecular Formula | C21H30O3 |
Exact Mass | 330.219495 g/mol |
SpectraBase Spectrum ID | 52I9I49Vngc |
---|---|
Name | 3,16.ALPHA.,17.ALPHA.-TRIMETHOXY-1,3,5(10)-ESTRATRIENE |
Copyright | Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass | 330.219494823 u |
Formula | C21H30O3 |
InChI | InChI=1S/C21H30O3/c1-21-10-9-16-15-8-6-14(22-2)11-13(15)5-7-17(16)18(21)12-19(23-3)20(21)24-4/h6,8,11,16-20H,5,7,9-10,12H2,1-4H3/t16-,17-,18+,19-,20-,21+/m1/s1 |
InChIKey | QIOWNWWZXNWWMP-RZTRGMPVSA-N |
Molecular Weight | 330.468 g/mol |
Nominal Mass | 330 u |
Number of Peaks | 236 |
SMILES | c1(ccc2[C@]3(CC[C@@]4([C@@]([C@@](C[C@]4([C@@]3(CCc2c1)[H])[H])(OC)[H])(OC)[H])C)[H])OC |
SPLASH | splash10-00gi-5961000000-c19de088c0fcc0990028 |
Source File Reference | LMCM-58287-841C |
Source of Spectrum | TU Eindhoven, NL |
Synonyms | 3,16,17-TRIMETHOXYESTRA-1(10),2,4-TRIENE (1S,10R,11S,13R,14S,15S)-5,13,14-trimethoxy-15-methyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-2(7),3,5-triene (8R,9S,13S,14S,16R,17S)-3,16,17-trimethoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene |
Wiley ID | 8_9256 |